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Observación del isomerismo de topología interpenetrada para marcos orgánicos covalentes con estructuras de cristal
Baoqiu Yu1, Wenliang Li2, Xiao Wang1
1Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials, Department of Chemistry and Chemical Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, P.R. China.
Journal of the American Chemical Society
|November 9, 2023
Resumen
Los investigadores sintetizaron dos nuevos isómeros de marco orgánico covalente 3D (COF), USTB-20-dia y USTB-20-qtz, mediante el control de las condiciones de reacción. Este trabajo avanza en la comprensión del isomerismo de marco en la química reticular.
Área de la Ciencia:
- Química reticular
- Ciencias de los materiales
- La cristalografía
Sus antecedentes:
- El control del isomerismo en marcos reticulares, especialmente en marcos orgánicos covalentes (COF), es un desafío debido a la síntesis compleja y los factores de energía.
- Comprender el isomerismo del marco es crucial para diseñar materiales avanzados con propiedades a medida.
Objetivo del estudio:
- Sintetizar y caracterizar nuevos isómeros de marco orgánico covalente 3D (COF).
- Investigar los mecanismos de formación del isomerismo de topología interpenetrada en los FOC.
- Explorar el papel de la flexibilidad de los bloques de construcción en la dirección de la topología del marco.
Principales métodos:
- Sin embargo, en el caso de los compuestos orgánicos derivados de los compuestos orgánicos, el método de síntesis es el método de síntesis de los compuestos orgánicos de los compuestos orgánicos.
- Determinación de la estructura de los isómeros de COF mediante difracción tridimensional de electrones (3D ED) y difracción de rayos X de un solo cristal sincrotrón.
- Simulaciones teóricas para analizar los factores que influyen en el isomerismo del marco.
Principales resultados:
- Se han sintetizado con éxito dos isómeros de COF 3D distintos: USTB-20-dia (2 × 2 redes de dia-b interpenetradas) y USTB-20-qtz (3 marcos de qtz-b interpenetrados).
- Se ha logrado una aclaración estructural de alta resolución de los isómeros de COF.
- Demostró la influencia crítica de las configuraciones de bloques de construcción flexibles en la formación de isomerismo de topología interpenetrada.
Conclusiones:
- Presenta el primer informe de isómeros de COF 3D raros con topologías de interpenetración distintas.
- Proporciona información sobre el control racional del isomerismo de marco a través del diseño molecular y las condiciones de reacción.
- Destaca la sinergia entre el análisis estructural experimental y las simulaciones teóricas para comprender la formación de COF.
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